5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride

C4H6BrClN2S — CID 18954728

IUPAC5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(N)sc1Br.Cl
InChIInChI=1S/C4H5BrN2S.ClH/c1-2-3(5)8-4(6)7-2;/h1H3,(H2,6,7);1H
InChIKeyOTWSIBXEPMKIFH-UHFFFAOYSA-N
MW229.53 g/mol
LogP2.22
Rot. Bonds

About 5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride

5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 18954728) has the molecular formula C4H6BrClN2S and a molecular weight of 229.53 g/mol. Its IUPAC name is 5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID18954728
Molecular FormulaC4H6BrClN2S
Molecular Weight229.53 g/mol
Exact Mass227.91
IUPAC Name5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(N)sc1Br.Cl
InChIInChI=1S/C4H5BrN2S.ClH/c1-2-3(5)8-4(6)7-2;/h1H3,(H2,6,7);1H
InChIKeyOTWSIBXEPMKIFH-UHFFFAOYSA-N
XLogP2.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.53
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride (CID 18954728) is 5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride is Cc1nc(N)sc1Br.Cl.
What is the InChIKey of 5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is OTWSIBXEPMKIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2S.ClH/c1-2-3(5)8-4(6)7-2;/h1H3,(H2,6,7);1H.
What are the key properties of 5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride?
5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 229.53 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 18954728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).